Home > Compound List > Compound details
223575-95-9 molecular structure
click picture or here to close

2-(2-fluorophenyl)benzaldehyde

ChemBase ID: 93917
Molecular Formular: C13H9FO
Molecular Mass: 200.2083632
Monoisotopic Mass: 200.06374313
SMILES and InChIs

SMILES:
O=Cc1c(cccc1)c1c(cccc1)F
Canonical SMILES:
O=Cc1ccccc1c1ccccc1F
InChI:
InChI=1S/C13H9FO/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15/h1-9H
InChIKey:
KKOOBRYMWSXJFU-UHFFFAOYSA-N

Cite this record

CBID:93917 http://www.chembase.cn/molecule-93917.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-fluorophenyl)benzaldehyde
IUPAC Traditional name
2-(2-fluorophenyl)benzaldehyde
Synonyms
2-(2-Fluorophenyl)benzaldehyde
2'-Fluoro-[1,1'-biphenyl]-2-carboxaldehyde
CAS Number
223575-95-9
MDL Number
MFCD03424636
PubChem SID
162080572
PubChem CID
1392968

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC11129 external link Add to cart Please log in.
Data Source Data ID
PubChem 1392968 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4756753  LogD (pH = 7.4) 3.4756753 
Log P 3.4756753  Molar Refractivity 57.9946 cm3
Polarizability 22.840492 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle